3-[[2-(pyridin-3-ylcarbonylamino)-1,3-thiazol-4-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-(pyridin-3-ylcarbonylamino)-1,3-thiazol-4-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(pyridine-3-carbonylamino)thiazole-4-carbonyl]amino]propanoic acid CAS Name: 3-[[oxo-[2-[[oxo(3-pyridinyl)methyl]amino]-4-thiazolyl]methyl]amino]propanoic acid IUPAC Name: 3-[[2-(pyridine-3-carbonylamino)-1,3-thiazole-4-carbonyl]amino]propanoic acid Traditional Name: 3-[(2-nicotinamidothiazole-4-carbonyl)amino]propionic acid Formula: C13H12N4O4S MolecularWeight: 320.32378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)NC2=NC(=CS2)C(=O)NCCC(=O)O

Isomeric SMILES

C1=CC(=CN=C1)C(=O)NC2=NC(=CS2)C(=O)NCCC(=O)O

InChI

InChI=1S/C13H12N4O4S/c18-10(19)3-5-15-12(21)9-7-22-13(16-9)17-11(20)8-2-1-4-14-6-8/h1-2,4,6-7H,3,5H2,(H,15,21)(H,18,19)(H,16,17,20)